3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine

C22H23NO2 — CID 42851644

IUPAC3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
SMILESCCOc1cccc(-c2cncc(COc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H23NO2/c1-4-24-21-7-5-6-19(12-21)20-11-18(13-23-14-20)15-25-22-9-8-16(2)10-17(22)3/h5-14H,4,15H2,1-3H3
InChIKeyZZFLXUSNLSGJJP-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.34
Rot. Bonds6

About 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine

3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine (PubChem CID 42851644) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
PubChem CID42851644
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
SMILESCCOc1cccc(-c2cncc(COc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H23NO2/c1-4-24-21-7-5-6-19(12-21)20-11-18(13-23-14-20)15-25-22-9-8-16(2)10-17(22)3/h5-14H,4,15H2,1-3H3
InChIKeyZZFLXUSNLSGJJP-UHFFFAOYSA-N
XLogP5.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine?
The IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine (CID 42851644) is 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine.
What is the SMILES notation for 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine?
The canonical SMILES for 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine is CCOc1cccc(-c2cncc(COc3ccc(C)cc3C)c2)c1.
What is the InChIKey of 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine?
The InChIKey is ZZFLXUSNLSGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-24-21-7-5-6-19(12-21)20-11-18(13-23-14-20)15-25-22-9-8-16(2)10-17(22)3/h5-14H,4,15H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine?
3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine has a molecular weight of 333.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine is sourced from PubChem (CID 42851644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).